4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine

C64H72N2S6 — CID 58321391

IUPAC4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine
SMILESCCCCCCCCc1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccc(-c6ccc(CCCCCCCC)s6)s5)cc(-c5cc(-c6ccc(-c7ccc(CCCCCCCC)s7)s6)ccn5)n4)c3)s2)s1
InChIInChI=1S/C64H72N2S6/c1-4-7-10-13-16-19-25-50-28-31-59(67-50)62-37-34-56(70-62)47-24-22-23-46(42-47)53-44-49(58-36-39-64(72-58)61-33-30-52(69-61)27-21-18-15-12-9-6-3)45-55(66-53)54-43-48(40-41-65-54)57-35-38-63(71-57)60-32-29-51(68-60)26-20-17-14-11-8-5-2/h22-24,28-45H,4-21,25-27H2,1-3H3
InChIKeyOYUBIESWGLDIDL-UHFFFAOYSA-N
MW1061.70 g/mol
LogP22.89
Rot. Bonds29

About 4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine

4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine (PubChem CID 58321391) has the molecular formula C64H72N2S6 and a molecular weight of 1061.70 g/mol. Its IUPAC name is 4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine
PubChem CID58321391
Molecular FormulaC64H72N2S6
Molecular Weight1061.70 g/mol
Exact Mass1060.40
IUPAC Name4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine
SMILESCCCCCCCCc1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccc(-c6ccc(CCCCCCCC)s6)s5)cc(-c5cc(-c6ccc(-c7ccc(CCCCCCCC)s7)s6)ccn5)n4)c3)s2)s1
InChIInChI=1S/C64H72N2S6/c1-4-7-10-13-16-19-25-50-28-31-59(67-50)62-37-34-56(70-62)47-24-22-23-46(42-47)53-44-49(58-36-39-64(72-58)61-33-30-52(69-61)27-21-18-15-12-9-6-3)45-55(66-53)54-43-48(40-41-65-54)57-35-38-63(71-57)60-32-29-51(68-60)26-20-17-14-11-8-5-2/h22-24,28-45H,4-21,25-27H2,1-3H3
InChIKeyOYUBIESWGLDIDL-UHFFFAOYSA-N
XLogP22.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds29
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.70
LogP ≤ 522.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine with MolForge

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Related Compounds

2-bromo-5-(5-hexylthiophen-2-yl)thiophene;4-methyl-2-(3-methylphenyl)-6-(4-methyl-2-pyridinyl)pyridine;4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine
CID 161021702
2-[4-formyloxy-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 140822285
2-(2,4-difluorophenyl)-4-(5-hexylthiophen-2-yl)pyridine
CID 66714075
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
2-(5-tridecylthiophen-2-yl)pyridine
CID 24787944
3-(5-hexylthiophen-2-yl)pyridine
CID 122397866
5-[5-[3,5-bis[5-[4,5-bis(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]thiophen-2-yl]-2,3-bis(5-hexylthiophen-2-yl)thiophene
CID 101383474
4-(5-hexylthiophen-2-yl)-2-methylpyrimidine
CID 118281567
4-(5-hexylthiophen-2-yl)-2-(4-methylphenyl)-6-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine
CID 71217085
4-(5-hexylthiophen-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 70808059
2-hexyl-5-[6-(5-hexylthiophen-2-yl)anthracen-2-yl]thiophene
CID 59695623
2-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-1-benzothiophene
CID 71418336

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine?
The IUPAC name of 4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine (CID 58321391) is 4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine.
What is the SMILES notation for 4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine?
The canonical SMILES for 4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine is CCCCCCCCc1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccc(-c6ccc(CCCCCCCC)s6)s5)cc(-c5cc(-c6ccc(-c7ccc(CCCCCCCC)s7)s6)ccn5)n4)c3)s2)s1.
What is the InChIKey of 4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine?
The InChIKey is OYUBIESWGLDIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H72N2S6/c1-4-7-10-13-16-19-25-50-28-31-59(67-50)62-37-34-56(70-62)47-24-22-23-46(42-47)53-44-49(58-36-39-64(72-58)61-33-30-52(69-61)27-21-18-15-12-9-6-3)45-55(66-53)54-43-48(40-41-65-54)57-35-38-63(71-57)60-32-29-51(68-60)26-20-17-14-11-8-5-2/h22-24,28-45H,4-21,25-27H2,1-3H3.
What are the key properties of 4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine?
4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine has a molecular weight of 1061.70 g/mol, XLogP of 22.89, 29 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-[3-[5-(5-octylthiophen-2-yl)thiophen-2-yl]phenyl]-6-[4-[5-(5-octylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine is sourced from PubChem (CID 58321391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).